A new approach for efficient simulation of Coulomb interactions in ionic fluids

Journal of Chemical Physics

Volumn 128, Issue 12, 2008, Pages

  Denesyuk, Natalia A ^a   Weeks, John D ^a  

^a Bldg 142   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; COULOMB INTERACTIONS; MATHEMATICAL MODELS; MOLECULAR INTERACTIONS; PHASE EQUILIBRIA;

CORE INTERACTIONS; IONIC FLUIDS; IONIC MIXTURES; LOCAL MOLECULAR FIELD (LMF);

IONIC LIQUIDS;

EID: 41549153317     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2894478     Document Type: Article

References (35)

1. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids, 3rd ed. (Academic, New York, 2006).
2. G. Hummer, D. Soumpasis, and M. Neumann, J. Phys.: Condens. Matter 6, A141 (1994).
3. D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggebrecht, J. Chem. Phys. 110, 8254 (1999).
4. C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006).
5. R. M. Levy and E. Gallicchio, Annu. Rev. Phys. Chem. 49, 531 (1998).
6. M. Bergdorf, C. Peter, and P. H. Hünenberger, J. Chem. Phys. 119, 9129 (2003).
7. H. Schreiber and O. Steinhauser, Biochemistry 31, 5856 (1992).
8. Y.-G. Chen and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 103, 7560 (2006).
9. J. M. Rodgers, C. Kaur, Y.-G. Chen, and J. D. Weeks, Phys. Rev. Lett. 97, 097801 (2006).
10. P. P. Ewald, Ann. Phys. 64, 253 (1921).
11. T. Darden, D. York, and L. Pedersen, J. Chem. Phys. 98, 10089 (1993).
12. A. H. Widmann and D. B. Adolf, Comput. Phys. Commun. 107, 167 (1997).
13. J. C. Shelley and G. N. Patey, Mol. Phys. 88, 385 (1996).
14. E. Spohr, J. Chem. Phys. 107, 6342 (1997).
15. I.-C. Yeh and M. L. Berkowitz, J. Chem. Phys. 111, 3155 (1999).
16. A. Arnold, J. de Joannis, and C. Holm, J. Chem. Phys. 117, 2496 (2002).
17. J. de Joannis, A. Arnold, and C. Holm, J. Chem. Phys. 117, 2503 (2002).
18. W. Weber, P. Hünenberger, and J. McCammon, J. Phys. Chem. B 104, 3668 (2000).
19. J. D. Weeks, Annu. Rev. Phys. Chem. 53, 533 (2002).
20. J. D. Weeks, R. L. B. Selinger, and J. Q. Broughton, Phys. Rev. Lett. 75, 2694 (1995).
21. J. D. Weeks, K. Katsov, and K. Vollmayr, Phys. Rev. Lett. 81, 4400 (1998).
22. K. Katsov and J. D. Weeks, J. Phys. Chem. B 105, 6738 (2001).
23. Y.-G. Chen, C. Kaur, and J. D. Weeks, J. Phys. Chem. B 108, 19874 (2004).
24. J. K. Percus, Phys. Rev. Lett. 8, 462 (1962).
25. J. Wu and Z. Li, Annu. Rev. Phys. Chem. 58, 85 (2007).
26. B. Widom, Science 157, 375 (1967).
27. J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 55, 5422 (1971).
28. M. Kac, G. E. Uhlenbeck, and P. C. Hemmer, J. Math. Phys. 4, 216 (1963).
29. J. L. Lebowitz, G. Stell, and S. Baer, J. Math. Phys. 6, 1282 (1965).
30. F. H. Stillinger and R. Lovett, J. Chem. Phys. 49, 1991 (1968).
31. D. M. Ceperley and G. V. Chester, Phys. Rev. A 15, 755 (1977).
32. J. M. Rodgers and J. D. Weeks (unpublished).
33. N. A. Denesyuk and J. D. Weeks (unpublished).
34. U. Micka and K. Kremer, Europhys. Lett. 38, 279 (1997).
35. T. B. Liverpool and M. Stapper, Europhys. Lett. 40, 485 (1997).